(1-methylpiperidin-1-ium-3-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (1-methylpiperidin-1-ium-3-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (1-methylpiperidin-1-ium-3-yl)methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-3-piperidin-1-iumyl)methyl ester IUPAC Name: (1-methylpiperidin-1-ium-3-yl)methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-methylpiperidin-1-ium-3-yl)methyl ester Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO3/c1-22-14-8-9-17(15-22)16-25-20(23)21(24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,24H,8-9,14-16H2,1H3/p+1